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METHYL (4-CYANOPHENYL)ACETATE

Product Name
METHYL (4-CYANOPHENYL)ACETATE
CAS No.
52798-01-3
Chemical Name
METHYL (4-CYANOPHENYL)ACETATE
Synonyms
METHYL 2-(4-CYANOPHENYL)ACETATE;METHYL (4-CYANOPHENYL)ACETATE;4-Cyanophenylacetic acid methyl ester;4-Cyanobenzeneacetic acid methyl ester;p-Cyanophenyl acetic acid methyl ester;Benzeneacetic acid, 4-cyano-, Methyl ester
CBNumber
CB3442290
Molecular Formula
C10H9NO2
Formula Weight
175.18
MOL File
52798-01-3.mol
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METHYL (4-CYANOPHENYL)ACETATE Property

Melting point:
221 °C
Boiling point:
289.9±23.0 °C(Predicted)
Density 
1.14±0.1 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
form 
solid
color 
Off-white
InChI
InChI=1S/C10H9NO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6H2,1H3
InChIKey
OHTZXQYRHDVXLJ-UHFFFAOYSA-N
SMILES
C1(CC(OC)=O)=CC=C(C#N)C=C1
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Safety

Risk Statements 
20/21/22-36/37/38
Safety Statements 
26-36/37/39
RIDADR 
3276
HS Code 
2926907090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

TRC
Product number
M338108
Product name
Methyl(4-cyanophenyl)acetate
Packaging
250mg
Price
$45
Updated
2021/12/16
TRC
Product number
M338108
Product name
Methyl(4-cyanophenyl)acetate
Packaging
10g
Price
$360
Updated
2021/12/16
Matrix Scientific
Product number
076527
Product name
Methyl (4-cyanophenyl)acetate
Purity
95+%
Packaging
1g
Price
$416
Updated
2021/12/16
Apolloscientific
Product number
OR912751
Product name
Methyl(4-cyanophenyl)acetate
Purity
98%
Packaging
10g
Price
$435
Updated
2021/12/16
AK Scientific
Product number
J50943
Product name
Methyl(4-cyanophenyl)acetate
Packaging
25g
Price
$475
Updated
2021/12/16
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METHYL (4-CYANOPHENYL)ACETATE Chemical Properties,Usage,Production

Uses

Methyl (4-cyanophenyl)acetate was a useful reagent in studying pyrazolopyridinones as functionally selective GABAA ligands.

Synthesis

67-56-1

5462-71-5

52798-01-3

The general procedure for the synthesis of methyl 2-(4-cyanophenyl)acetate from methanol and 4-cyanophenylacetic acid was as follows: concentrated sulfuric acid (98%, 4.5 g, 54.8 mmol) was added slowly and dropwise to 40 ml of methanol solution of 4-cyanophenylacetic acid (3 g, 18.0 mmol), and the reaction mixture was stirred for 4 h at room temperature. After completion of the reaction, the mixture was cooled to room temperature and the pH was adjusted with saturated aqueous sodium bicarbonate solution to 8. Subsequently, the reaction mixture was extracted with ethyl acetate. The organic phases were combined, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give methyl 2-(4-cyanophenyl)acetate 3.2 g in 98% yield.

References

[1] Journal of Organic Chemistry, 2009, vol. 74, # 6, p. 2598 - 2600
[2] Patent: CN107474024, 2017, A. Location in patent: Paragraph 0602; 0603; 0604
[3] Patent: WO2013/8162, 2013, A1. Location in patent: Page/Page column 58; 59
[4] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 2, p. 131 - 134

METHYL (4-CYANOPHENYL)ACETATE Preparation Products And Raw materials

Raw materials

Preparation Products

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METHYL (4-CYANOPHENYL)ACETATE Suppliers

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View Lastest Price from METHYL (4-CYANOPHENYL)ACETATE manufacturers

Career Henan Chemical Co
Product
METHYL (4-CYANOPHENYL)ACETATE 52798-01-3
Price
US $1.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1kg; 2kg；10kg; 100kg
Release date
2019-08-30

52798-01-3, METHYL (4-CYANOPHENYL)ACETATERelated Search:

METHYL (3-CYANOPHENYL)ACETATE METHYL (2-CYANOPHENYL)ACETATE ETHYL 2-CYANO-2-(4-CYANOPHENYL)ACETATE DIMETHYL 2-(4-CYANO-2-NITROPHENYL)MALONATE DIETHYL 2-(4-CYANOPHENYL)MALONATE ETHYL 4-CYANOBENZOYLFORMATE METHYL (4-CYANOPHENYL)ACETATE METHYL 2-BROMO-2-(4'-CYANOPHENYL)ACETATE 6,8-DICHLORO-3-CYANO-4-(4'-HYDROXYPHENYL)COUMARIN ethyl 2-(4-cyanophenyl)acetate (2,3,5,6-TETRAFLUORO-4-CYANOPHENYL)MALONIC ACID DIMETHYL ESTER 4-CYANOMANDELIC ACID ETHYL ESTER (3-CHLORO-4-CYANO-PHENYL)-ACETIC ACID METHYL ESTER

  • Benzeneacetic acid, 4-cyano-, Methyl ester
  • METHYL (4-CYANOPHENYL)ACETATE
  • METHYL 2-(4-CYANOPHENYL)ACETATE
  • p-Cyanophenyl acetic acid methyl ester
  • 4-Cyanophenylacetic acid methyl ester
  • 4-Cyanobenzeneacetic acid methyl ester
  • 52798-01-3
  • Aromatic Esters
  • pharmacetical